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Compound Detail

CHEMBL4066298

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CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45CC=CC(=O)[C@]35C)[C@]1(O)[C@@H](OC(C)=O)C[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066298
Phase Preclinical
Structure Type MOL
InChI Key ZUTVFNRARULPEX-PDXYNHPGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

602.7
MW (Da)
1.84
ALogP
11
HBA
3
HBD
169.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H42O11
MW 602.68
Aromatic Rings 0
Heavy Atoms 43
NP-Likeness 3.25

Literature References

PubMed DOI Target Context # Activities
28257574 10.1021/acs.jmedchem.7b00069 ACHN 1

Data from ChEMBL 36 via Core Engine